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cis-oxolane-3,4-diamine dihydrochloride - 97%, high purity , CAS No.137277-16-8
Basic Description
Synonyms
(3R,4S)-Tetrahydrofuran-3,4-diamine dihydrochloride | 1033712-94-5 | 137277-16-8 | cis-Tetrahydrofuran-3,4-diamine dihydrochloride | cis-oxolane-3,4-diamine dihydrochloride | (3R,4S)-TETRAHYDROFURAN-3,4-DIAMINE 2HCL | (3R,4S)-oxolane-3,4-diamine;dihydrochloride | (3R,4
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrahydrofurans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetrahydrofurans
Alternative Parents
Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(3S,4R)-oxolane-3,4-diamine;dihydrochloride
INCHI
InChI=1S/C4H10N2O.2ClH/c5-3-1-7-2-4(3)6;;/h3-4H,1-2,5-6H2;2*1H/t3-,4+;;
InChIKey
PJOPFTSMNUPXIB-NDXJVULZSA-N
Smiles
C1C(C(CO1)N)N.Cl.Cl
Isomeric SMILES
C1[C@H]([C@H](CO1)N)N.Cl.Cl
PubChem CID
54593039
Molecular Weight
175.057
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
175.050 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
174.033 Da
Monoisotopic Mass
174.033 Da
Topological Polar Surface Area
61.300 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
58.700
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
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